ethyl 2-[4-oxidanylidene-3-pentyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-oxidanylidene-3-pentyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-oxo-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-pentyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-oxo-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-amyl-4-keto-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C28H34N4O4S MolecularWeight: 522.65896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)N=C1SCC(=O)OCC

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)N=C1SCC(=O)OCC

InChI

InChI=1S/C28H34N4O4S/c1-3-5-9-14-32-27(35)23-13-12-21(19-24(23)29-28(32)37-20-25(33)36-4-2)26(34)31-17-15-30(16-18-31)22-10-7-6-8-11-22/h6-8,10-13,19H,3-5,9,14-18,20H2,1-2H3